Monomers
Acrylic acid 4-acetylphenyl ester
Identifiers
IUPAC name
(4-acetylphenyl) prop-2-enoate
InchI
InChI=1S/C11H10O3/c1-3-11(13)14-10-6-4-9(5-7-10)8(2)12/h3-7H,1H2,2H3
InchI Key
FFWDBWLGIPNATR-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C(=O)C
Canonical SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H10O3
Heavy Atom Count
14
Molecular Weight
190.198
Exact Molecular Weight
190.063
Valence Electrons
72
Radical Electrons
0
tPSA
43.37
MolLogP
1.9806
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
24 24 0 0 0 0 0 0 0 0999 V2000
5.1891 -0.9171 -0.6102 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3518 0.0643 -0.4336 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9123 -0.2063 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4534 -1.3661 -0.5802 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9775 0.8092 -0.2379 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6147 0.5517 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1637 0.5827 -1.3616 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5081 0.3139 -1.2573 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1246 0.0077 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3400 -0.0188 1.0733 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0079 0.2501 0.9727 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5468 -0.2693 0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2168 -0.2298 -1.0336 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2069 -0.5937 1.3056 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8256 -1.9125 -0.7462 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2416 -0.7360 -0.6205 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7406 1.0614 -0.2983 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3173 0.8191 -2.2959 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1166 0.3392 -2.1504 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8113 -0.2572 2.0319 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5742 0.2121 1.8959 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5844 -1.2617 1.9454 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2171 -1.0218 1.1398 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3695 0.3332 1.9277 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
9 12 1 0
12 13 2 0
12 14 1 0
11 6 1 0
1 15 1 0
1 16 1 0
2 17 1 0
7 18 1 0
8 19 1 0
10 20 1 0
11 21 1 0
14 22 1 0
14 23 1 0
14 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers